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Information card for entry 1546936
Preview
| Coordinates | 1546936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H29 N O3 Si |
|---|---|
| Calculated formula | C24 H29 N O3 Si |
| SMILES | [Si](O)(C(=C\1NC(=O)OC21CCCC2)\c1ccccc1)(c1ccccc1)C(C)(C)C |
| Title of publication | Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C–H bond insertion cascades |
| Authors of publication | Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 8.717 ± 0.002 Å |
| b | 9.709 ± 0.002 Å |
| c | 14.13 ± 0.003 Å |
| α | 108.586 ± 0.004° |
| β | 101.655 ± 0.004° |
| γ | 97.748 ± 0.004° |
| Cell volume | 1084.3 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546936.cif |
| 200154 | 2017-09-05 | cif/ Adding structures of 1546932, 1546933, 1546934, 1546935, 1546936, 1546937 via cif-deposit CGI script. |
1546936.cif |
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Users of the data should acknowledge the original authors of the
structural data.